Geometry & MOs

Info

ID:	294661
PubChem CID:	117479754
Reduced:	BrNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	297.01129
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	1.33
IP(EA), eV:	-9.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-1-methylpyrazol-4-yl)-3-bromo-2-methoxyphenol

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=C(C(=C2)Br)O)O)N=C=O

DOS

IR

Vibrations